6IRD

Complex structure of INADL PDZ89 and PLCb4 C-terminal CC-PBM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	69.089, 69.089, 200.375
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.997 - 2.813
R-factor	0.2468
Rwork	0.244
R-free	0.30220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r0h
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AutoSol
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.117	0.067	0.938
Rmeas	0.127	0.073	1.015
Rpim	0.048	0.029	0.381
Total number of observations	100701
Number of reflections	14070	794	710
<I/σ(I)>	6.9
Completeness [%]	99.7	98.8	99.6
Redundancy	7.2	6.2	6.9
CC(1/2)		0.997	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6.5	289	0.2M MgCl2, 0.1M BIS-TRIS pH6.5, 20% w/v Polyethylene glycol 3350